| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:08:46 UTC |
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| Update Date | 2025-03-25 00:56:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02221654 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H10O4 |
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| Molecular Mass | 218.0579 |
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| SMILES | O=C(O)CCC(=O)c1cc2ccccc2o1 |
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| InChI Key | HEDHZYDSZHLFKY-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organoheterocyclic compounds |
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| Class | benzofurans |
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| Subclass | benzofurans |
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| Direct Parent | benzofurans |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | aryl alkyl ketonesbenzenoidscarboxylic acidsfuroic acid and derivativesgamma-keto acids and derivativesheteroaromatic compoundshydrocarbon derivativesmonocarboxylic acids and derivativesorganic oxidesoxacyclic compounds |
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| Substituents | furancarbonyl groupfuroic acid or derivativescarboxylic acidaryl alkyl ketonebenzofuranheteroaromatic compoundcarboxylic acid derivativegamma-keto acidketoneoxacycleorganic oxidemonocarboxylic acid or derivativesorganic oxygen compoundaromatic heteropolycyclic compoundketo acidhydrocarbon derivativebenzenoidorganooxygen compoundaryl ketone |
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